SIMILAR PATTERNS OF AMINO ACIDS FOR 1D4F_A_ADNA601

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g7r TRANSLATION
INITIATION FACTOR
IF2/EIF5B

(Methanothermobacter
thermautotrophicus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		5 LEU A 161
ASP A 162
ASP A 183
MET A 147
PHE A 146
 None
 1.27A 1d4fA-1g7rA:
3.2		 1d4fA-1g7rA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gju MALTODEXTRIN
GLYCOSYLTRANSFERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09083
(DUF1923) 		5 LEU A 335
HIS A 327
GLU A 329
ASP A 346
GLY A 355
 None
 1.35A 1d4fA-1gjuA:
undetectable		 1d4fA-1gjuA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i1q ANTHRANILATE
SYNTHASE COMPONENT I

(Salmonella
enterica) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 LEU A   8
THR A 199
LEU A 130
LEU A  80
GLY A  77
 None
 1.28A 1d4fA-1i1qA:
undetectable		 1d4fA-1i1qA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o73 TRYPAREDOXIN

(Trypanosoma
brucei) 		PF13905
(Thioredoxin_8) 		5 LEU A  33
LEU A  26
LEU A   4
GLY A   3
PHE A 104
 None
 1.47A 1d4fA-1o73A:
undetectable		 1d4fA-1o73A:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1obf GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Achromobacter
xylosoxidans) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 LEU O  17
HIS O  20
GLU O  22
GLY O  23
PHE O  56
 None
 1.46A 1d4fA-1obfO:
4.7		 1d4fA-1obfO:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 GLU A1381
ASP A1331
LEU A 331
LEU A 344
GLY A 348
 None
 1.29A 1d4fA-1ofeA:
undetectable		 1d4fA-1ofeA:
13.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p0n ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Bacillus
subtilis) 		PF01070
(FMN_dh) 		5 LEU A 242
THR A  23
ASP A 207
LEU A 260
GLY A 258
 None
None
None
None
FMN  A 669 (-3.0A)
 1.20A 1d4fA-1p0nA:
undetectable		 1d4fA-1p0nA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1poj ISOASPARTYL
DIPEPTIDASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 LEU A 227
LEU A 103
LEU A 133
GLY A 160
PHE A 339
 None
KCX  A 162 ( 4.2A)
KCX  A 162 ( 4.2A)
None
None
 1.24A 1d4fA-1pojA:
2.1		 1d4fA-1pojA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 LEU A 542
THR A 544
LEU A 581
LEU A 559
GLY A 560
 None
 1.47A 1d4fA-1rw9A:
undetectable		 1d4fA-1rw9A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t1u CHOLINE
O-ACETYLTRANSFERASE

(Rattus
norvegicus) 		PF00755
(Carn_acyltransf) 		5 LEU A 516
LEU A  31
GLY A  62
MET A 533
PHE A 534
 None
 1.46A 1d4fA-1t1uA:
undetectable		 1d4fA-1t1uA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t1u CHOLINE
O-ACETYLTRANSFERASE

(Rattus
norvegicus) 		PF00755
(Carn_acyltransf) 		5 LEU A 516
LEU A  31
GLY A  68
MET A 533
PHE A 534
 None
 1.33A 1d4fA-1t1uA:
undetectable		 1d4fA-1t1uA:
20.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  54
ASP A 134
LYS A 230
ASP A 234
LEU A 392
 ADN  A 502 (-4.1A)
ADN  A 502 (-3.1A)
ADN  A 502 (-3.0A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 4.9A)
 1.27A 1d4fA-1v8bA:
54.1		 1d4fA-1v8bA:
52.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  53
HIS A  54
THR A  56
GLU A  58
ASP A 134
LYS A 230
ASP A 234
LEU A 389
LEU A 392
GLY A 397
MET A 403
PHE A 407
 None
ADN  A 502 (-4.1A)
ADN  A 502 (-3.0A)
ADN  A 502 (-3.6A)
ADN  A 502 (-3.1A)
ADN  A 502 (-3.0A)
ADN  A 502 (-2.8A)
NAD  A 501 ( 3.8A)
ADN  A 502 ( 4.9A)
ADN  A 502 ( 3.7A)
ADN  A 502 (-3.6A)
None
 0.31A 1d4fA-1v8bA:
54.1		 1d4fA-1v8bA:
52.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wj4 KIAA0794 PROTEIN

(Homo sapiens) 		PF00789
(UBX) 		5 LEU A  85
THR A  87
LEU A 103
LEU A 108
GLY A 107
 None
 1.29A 1d4fA-1wj4A:
undetectable		 1d4fA-1wj4A:
14.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wyl NEDD9 INTERACTING
PROTEIN WITH
CALPONIN HOMOLOGY
AND LIM DOMAINS

(Homo sapiens) 		PF00307
(CH) 		5 LEU A  78
LEU A  53
LEU A  52
GLY A  51
PHE A 109
 None
 1.27A 1d4fA-1wylA:
undetectable		 1d4fA-1wylA:
14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zr6 GLUCOOLIGOSACCHARIDE
OXIDASE

(Sarocladium
strictum) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 LEU A 125
HIS A 127
THR A 113
LEU A 110
PHE A 200
 None
 1.46A 1d4fA-1zr6A:
undetectable		 1d4fA-1zr6A:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zr6 GLUCOOLIGOSACCHARIDE
OXIDASE

(Sarocladium
strictum) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 LEU A 125
THR A 113
LEU A 110
GLY A 134
PHE A 200
 None
None
None
FAD  A 501 (-3.3A)
None
 1.34A 1d4fA-1zr6A:
undetectable		 1d4fA-1zr6A:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bde CYTOSOLIC IMP-GMP
SPECIFIC
5'-NUCLEOTIDASE

(Legionella
pneumophila) 		PF05761
(5_nucleotid) 		5 LEU A  28
LEU A 437
LEU A 438
GLY A 194
PHE A 238
 None
 1.35A 1d4fA-2bdeA:
undetectable		 1d4fA-2bdeA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bq8 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5

(Homo sapiens) 		PF00149
(Metallophos) 		5 THR X 136
ASP X  91
ASP X  12
LEU X  86
GLY X 183
 None
None
FE2  X1305 (-3.1A)
None
None
 1.16A 1d4fA-2bq8X:
undetectable		 1d4fA-2bq8X:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cul GLUCOSE-INHIBITED
DIVISION PROTEIN
A-RELATED PROTEIN,
PROBABLE
OXIDOREDUCTASE

(Thermus
thermophilus) 		PF01134
(GIDA) 		5 LEU A 195
LEU A  96
LEU A  94
GLY A  93
PHE A 183
 None
 1.20A 1d4fA-2culA:
3.1		 1d4fA-2culA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ei8 COAGULATION FACTOR
X, HEAVY CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU A 155
THR A  73
ASP A 194
LEU A  32
GLY A  40
 None
 1.37A 1d4fA-2ei8A:
undetectable		 1d4fA-2ei8A:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fy2 CHOLINE
O-ACETYLTRANSFERASE

(Homo sapiens) 		PF00755
(Carn_acyltransf) 		5 LEU A 506
LEU A  21
GLY A  58
MET A 523
PHE A 524
 None
 1.34A 1d4fA-2fy2A:
undetectable		 1d4fA-2fy2A:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gv9 DNA POLYMERASE

(Human
alphaherpesvirus
1) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 LEU A 359
HIS A 148
GLU A 460
GLY A 186
PHE A 461
 None
 1.42A 1d4fA-2gv9A:
undetectable		 1d4fA-2gv9A:
17.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hp3 IDS-EPIMERASE

(Agrobacterium
tumefaciens) 		PF03972
(MmgE_PrpD) 		5 LEU A 263
ASP A  91
LEU A 104
GLY A 159
MET A  96
 None
 1.37A 1d4fA-2hp3A:
undetectable		 1d4fA-2hp3A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r14 MORPHINONE REDUCTASE

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		5 LEU A 302
LEU A  15
LEU A  17
GLY A  18
PHE A 298
 None
 1.44A 1d4fA-2r14A:
undetectable		 1d4fA-2r14A:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vzb PUTATIVE
BACTERIOFERRITIN-REL
ATED PROTEIN

(Bacteroides
fragilis) 		PF00210
(Ferritin) 		5 LEU A   9
GLU A  77
ASP A 132
LEU A  22
GLY A  78
 None
 1.20A 1d4fA-2vzbA:
undetectable		 1d4fA-2vzbA:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vzw PROBABLE HISTIDINE
KINASE RESPONSE
REGULATOR

(Mycobacterium
tuberculosis) 		PF13185
(GAF_2) 		5 LEU A  76
GLU A  99
LEU A 154
LEU A 170
GLY A  82
 None
None
None
None
HEM  A1206 (-4.0A)
 1.27A 1d4fA-2vzwA:
undetectable		 1d4fA-2vzwA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xom ARABINOGALACTAN
ENDO-1,4-BETA-GALACT
OSIDASE

(Thermotoga
maritima) 		no annotation 5 HIS A  95
THR A 120
LEU A 124
GLY A 122
PHE A  67
 None
 1.34A 1d4fA-2xomA:
undetectable		 1d4fA-2xomA:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yh0 SPLICING FACTOR U2AF
65 KDA SUBUNIT

(Homo sapiens) 		PF00076
(RRM_1) 		5 LEU A 279
LEU A 325
LEU A 266
GLY A 301
PHE A 288
 None
 1.35A 1d4fA-2yh0A:
undetectable		 1d4fA-2yh0A:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yoc PULLULANASE

(Klebsiella
oxytoca) 		PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372) 		5 ASP A 822
ASP A 590
LEU A 666
GLY A 693
PHE A 862
 None
 1.38A 1d4fA-2yocA:
undetectable		 1d4fA-2yocA:
16.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  69
ASP A 156
LYS A 248
ASP A 252
LEU A 410
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
 1.35A 1d4fA-3ce6A:
54.9		 1d4fA-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 LEU A  68
HIS A  69
THR A  71
ASP A 156
LYS A 248
ASP A 252
LEU A 407
LEU A 410
GLY A 415
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.49A 1d4fA-3ce6A:
54.9		 1d4fA-3ce6A:
54.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dla GLUTAMINE-DEPENDENT
NAD(+) SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 LEU A 571
ASP A 568
ASP A 482
LEU A 488
GLY A 489
 None
 1.39A 1d4fA-3dlaA:
3.2		 1d4fA-3dlaA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dob HEAT SHOCK 70 KDA
PROTEIN F44E5.5

(Caenorhabditis
elegans) 		PF00012
(HSP70) 		5 HIS A 455
LYS A 512
LEU A 457
GLY A 446
MET A 519
 None
 1.20A 1d4fA-3dobA:
undetectable		 1d4fA-3dobA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f4m TUMOR NECROSIS
FACTOR,
ALPHA-INDUCED
PROTEIN 8-LIKE
PROTEIN 2

(Homo sapiens) 		PF05527
(DUF758) 		5 THR A  34
GLU A  37
LEU A 184
LEU A 178
GLY A 174
 None
 1.34A 1d4fA-3f4mA:
undetectable		 1d4fA-3f4mA:
17.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		9 LEU A  51
HIS A  52
THR A  54
ASP A 130
LEU A 343
LEU A 346
GLY A 351
MET A 357
PHE A 361
 None
ADN  A 438 (-4.0A)
ADN  A 438 (-2.8A)
ADN  A 438 (-4.1A)
NAD  A 439 ( 4.0A)
ADN  A 438 ( 4.8A)
ADN  A 438 ( 3.8A)
ADN  A 438 (-3.7A)
None
 0.67A 1d4fA-3g1uA:
59.7		 1d4fA-3g1uA:
71.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ggd SAM-DEPENDENT
METHYLTRANSFERASE

(Trichormus
variabilis) 		PF13649
(Methyltransf_25) 		5 LEU A 160
LEU A 152
LEU A 148
GLY A 145
PHE A 198
 None
 1.32A 1d4fA-3ggdA:
2.1		 1d4fA-3ggdA:
20.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  62
ASP A 139
LYS A 229
ASP A 233
LEU A 388
 RAB  A 602 (-3.8A)
RAB  A 602 (-3.0A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
RAB  A 602 ( 4.7A)
 1.35A 1d4fA-3glqA:
57.2		 1d4fA-3glqA:
56.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 LEU A  61
HIS A  62
THR A  64
ASP A 139
LYS A 229
ASP A 233
LEU A 385
LEU A 388
GLY A 393
MET A 399
PHE A 403
 None
RAB  A 602 (-3.8A)
RAB  A 602 (-2.7A)
RAB  A 602 (-3.0A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
NAD  A 601 ( 4.1A)
RAB  A 602 ( 4.7A)
RAB  A 602 ( 3.8A)
RAB  A 602 (-3.6A)
None
 0.44A 1d4fA-3glqA:
57.2		 1d4fA-3glqA:
56.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h4r EXODEOXYRIBONUCLEASE
8

(Escherichia
coli) 		PF12684
(DUF3799) 		5 LEU A 836
HIS A 833
GLU A 831
ASP A 736
GLY A 828
 None
 1.41A 1d4fA-3h4rA:
undetectable		 1d4fA-3h4rA:
18.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  52
ASP A 130
LYS A 185
ASP A 189
LEU A 346
 ADN  A 439 ( 4.7A)
None
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
ADN  A 439 ( 4.7A)
 1.36A 1d4fA-3h9uA:
61.4		 1d4fA-3h9uA:
71.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 LEU A  51
HIS A  52
THR A  54
ASP A 130
LYS A 185
ASP A 189
LEU A 343
LEU A 346
GLY A 351
MET A 357
PHE A 361
 None
ADN  A 439 ( 4.7A)
ADN  A 439 (-2.7A)
None
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
NAD  A 438 (-4.0A)
ADN  A 439 ( 4.7A)
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.7A)
None
 0.34A 1d4fA-3h9uA:
61.4		 1d4fA-3h9uA:
71.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 908
THR A 910
GLU A 912
LEU A 663
GLY A 662
 None
 1.35A 1d4fA-3hmjA:
7.1		 1d4fA-3hmjA:
13.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3htv D-ALLOSE KINASE

(Escherichia
coli) 		PF00480
(ROK) 		5 LEU A  98
LEU A 106
LEU A  67
MET A  13
PHE A  71
 None
 1.41A 1d4fA-3htvA:
undetectable		 1d4fA-3htvA:
24.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k1z HALOACID
DEHALOGENASE-LIKE
HYDROLASE
DOMAIN-CONTAINING
PROTEIN 3

(Homo sapiens) 		PF13419
(HAD_2) 		5 LEU A  10
THR A 120
GLU A 123
ASP A 242
LEU A 231
 None
 1.32A 1d4fA-3k1zA:
undetectable		 1d4fA-3k1zA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k9c TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY PROTEIN

(Rhodococcus
jostii) 		PF13377
(Peripla_BP_3) 		5 ASP A 280
ASP A 169
LEU A  88
GLY A 133
PHE A 251
 GOL  A 349 (-2.8A)
None
None
None
None
 1.18A 1d4fA-3k9cA:
3.2		 1d4fA-3k9cA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lxz GLUTATHIONE
S-TRANSFERASE FAMILY
PROTEIN

(Pseudomonas
putida) 		PF13417
(GST_N_3)
PF14497
(GST_C_3) 		5 LEU A 164
ASP A 163
LEU A 178
GLY A 169
PHE A 112
 None
 1.45A 1d4fA-3lxzA:
undetectable		 1d4fA-3lxzA:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3msu CITRATE SYNTHASE

(Francisella
tularensis) 		PF00285
(Citrate_synt) 		5 LEU A  95
HIS A  74
ASP A 230
LEU A  72
GLY A  76
 None
 1.29A 1d4fA-3msuA:
undetectable		 1d4fA-3msuA:
20.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  55
ASP A 132
LYS A 222
ASP A 226
LEU A 381
 ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
 1.35A 1d4fA-3n58A:
56.9		 1d4fA-3n58A:
58.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 LEU A  54
HIS A  55
THR A  57
ASP A 132
LYS A 222
ASP A 226
LEU A 378
LEU A 381
GLY A 386
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.44A 1d4fA-3n58A:
56.9		 1d4fA-3n58A:
58.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 HIS A  62
THR A  64
ASP A 139
LYS A 235
ASP A 239
LEU A 395
LEU A 398
GLY A 403
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.38A 1d4fA-3oneA:
53.8		 1d4fA-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LEU A  61
HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 398
 None
ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
 1.41A 1d4fA-3oneA:
53.8		 1d4fA-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 LEU A  61
HIS A  62
THR A  64
ASP A 139
LYS A 235
ASP A 239
LEU A 395
GLY A 403
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.57A 1d4fA-3oneA:
53.8		 1d4fA-3oneA:
57.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sgi DNA LIGASE

(Mycobacterium
tuberculosis) 		PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB) 		5 LEU A 269
HIS A 250
THR A 267
GLU A 121
LEU A 254
 None
None
None
AMP  A 616 ( 3.9A)
None
 1.34A 1d4fA-3sgiA:
undetectable		 1d4fA-3sgiA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3swv BREFELDIN
A-INHIBITED GUANINE
NUCLEOTIDE-EXCHANGE
PROTEIN 2

(Homo sapiens) 		PF01369
(Sec7) 		5 LEU A 682
GLU A 676
LEU A 665
LEU A 671
GLY A 672
 None
 1.38A 1d4fA-3swvA:
undetectable		 1d4fA-3swvA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4buc UDP-N-ACETYLMURAMOYL
ALANINE--D-GLUTAMATE
LIGASE

(Thermotoga
maritima) 		PF08245
(Mur_ligase_M) 		5 LEU A  79
HIS A  75
THR A  76
GLY A  73
PHE A  48
 None
PO4  A1007 (-4.1A)
None
None
None
 1.25A 1d4fA-4bucA:
4.7		 1d4fA-4bucA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e6y CITRATE SYNTHASE

(Vibrio
vulnificus) 		PF00285
(Citrate_synt) 		5 LEU A  90
HIS A  69
ASP A 229
LEU A  67
GLY A  71
 None
 1.30A 1d4fA-4e6yA:
undetectable		 1d4fA-4e6yA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g6b CITRATE SYNTHASE

(Escherichia
coli) 		PF00285
(Citrate_synt) 		5 LEU A  89
HIS A  68
ASP A 228
LEU A  66
GLY A  70
 None
 1.33A 1d4fA-4g6bA:
undetectable		 1d4fA-4g6bA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gaa MGC78867 PROTEIN

(Xenopus laevis) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 LEU A 404
HIS A 317
LEU A 313
GLY A 383
PHE A 400
 None
 1.40A 1d4fA-4gaaA:
undetectable		 1d4fA-4gaaA:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		5 GLU A  69
LEU A 281
LEU A  51
GLY A  47
PHE A 297
 FAD  A 601 (-2.8A)
None
None
FAD  A 601 (-3.6A)
None
 1.43A 1d4fA-4iv9A:
3.5		 1d4fA-4iv9A:
23.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  58
ASP A 135
LYS A 227
ASP A 231
LEU A 386
 ADN  A 501 (-4.0A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
ADN  A 501 ( 4.7A)
 1.28A 1d4fA-4lvcA:
56.8		 1d4fA-4lvcA:
58.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 LEU A  57
HIS A  58
THR A  60
ASP A 135
LYS A 227
ASP A 231
LEU A 383
LEU A 386
GLY A 391
MET A 397
PHE A 401
 None
ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
NAD  A 503 ( 3.9A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.30A 1d4fA-4lvcA:
56.8		 1d4fA-4lvcA:
58.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mz0 CURL

(Moorea
producens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 THR A 495
ASP A 914
LEU A 895
LEU A 493
GLY A 899
 None
 1.32A 1d4fA-4mz0A:
undetectable		 1d4fA-4mz0A:
17.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n5x CALCIUM-BINDING
MITOCHONDRIAL
CARRIER PROTEIN
SCAMC-1

(Homo sapiens) 		PF13499
(EF-hand_7) 		5 LEU A  75
LEU A  27
LEU A  31
GLY A  47
PHE A  64
 None
 1.35A 1d4fA-4n5xA:
undetectable		 1d4fA-4n5xA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pwv P450 MONOOXYGENASE

(Streptomyces
sp. Acta 2897) 		PF00067
(p450) 		5 LEU A 119
THR A 157
GLU A 366
LEU A 244
GLY A 248
 None
None
HEM  A 501 ( 4.9A)
HEM  A 501 (-4.8A)
HEM  A 501 (-3.4A)
 1.28A 1d4fA-4pwvA:
undetectable		 1d4fA-4pwvA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q9t NUCLEOPORIN NUP133

(Vanderwaltozyma
polyspora) 		PF08801
(Nucleoporin_N) 		5 THR A  79
ASP A 104
LEU A  84
LEU A  81
GLY A 490
 None
 1.20A 1d4fA-4q9tA:
undetectable		 1d4fA-4q9tA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qiw DNA-DIRECTED RNA
POLYMERASE

(Thermococcus
kodakarensis) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 LEU B1073
HIS A  73
LYS B1102
ASP B1106
GLY A  75
 None
ZN  A1002 (-3.1A)
None
None
None
 1.40A 1d4fA-4qiwB:
undetectable		 1d4fA-4qiwB:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rep GAMMA-CAROTENE
DESATURASE

(Nonlabens
dokdonensis) 		PF01593
(Amino_oxidase) 		5 GLU A  31
LEU A 230
LEU A  14
GLY A  10
PHE A 243
 FAD  A 501 (-2.7A)
None
None
FAD  A 501 (-3.4A)
None
 1.38A 1d4fA-4repA:
4.1		 1d4fA-4repA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rep GAMMA-CAROTENE
DESATURASE

(Nonlabens
dokdonensis) 		PF01593
(Amino_oxidase) 		5 GLU A  31
LEU A 230
LEU A  14
GLY A  37
PHE A 243
 FAD  A 501 (-2.7A)
None
None
None
None
 1.42A 1d4fA-4repA:
4.1		 1d4fA-4repA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u09 LIC12759

(Leptospira
interrogans) 		PF13855
(LRR_8) 		5 LEU A 276
LEU A 319
LEU A 316
GLY A 291
PHE A 263
 None
 1.43A 1d4fA-4u09A:
undetectable		 1d4fA-4u09A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yue S4B6 FAB HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 THR H 120
GLU H  13
LEU H  84
LEU H  23
GLY H  11
 None
 1.13A 1d4fA-4yueH:
undetectable		 1d4fA-4yueH:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aee ALPHA-GLUCOSIDASE
YIHQ

(Escherichia
coli) 		PF01055
(Glyco_hydro_31) 		5 HIS A 196
ASP A 198
LEU A 242
LEU A 243
GLY A 460
 None
 1.47A 1d4fA-5aeeA:
3.0		 1d4fA-5aeeA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bqs 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Streptococcus
pneumoniae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 THR A  80
GLU A 140
ASP A  84
LEU A  78
GLY A 138
 None
 1.36A 1d4fA-5bqsA:
undetectable		 1d4fA-5bqsA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cr9 ABC-TYPE
FE3+-HYDROXAMATE
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Saccharomonospora
viridis) 		PF01497
(Peripla_BP_2) 		5 LEU A 180
ASP A 130
LEU A  63
LEU A 133
PHE A  54
 None
 1.10A 1d4fA-5cr9A:
3.3		 1d4fA-5cr9A:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dp2 CURF

(Lyngbya
majuscula) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 GLU A 279
LEU A 294
LEU A 290
MET A 276
PHE A 274
 None
None
None
NAP  A 401 (-4.9A)
None
 1.43A 1d4fA-5dp2A:
10.1		 1d4fA-5dp2A:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h0r VP4 PROTEIN

(Cypovirus 1) 		no annotation 5 LEU G 551
HIS G 296
LEU G 273
GLY G 297
PHE G 362
 None
 1.29A 1d4fA-5h0rG:
undetectable		 1d4fA-5h0rG:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ht0 AMINOGLYCOSIDE
ACETYLTRANSFERASE
HMB0005

(uncultured
bacterium) 		PF02522
(Antibiotic_NAT) 		5 LEU A  60
GLU A 124
LEU A  20
GLY A  23
PHE A 128
 None
 1.44A 1d4fA-5ht0A:
undetectable		 1d4fA-5ht0A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5htp PROBABLE SUGAR
KINASE

(Synechococcus
elongatus) 		PF02782
(FGGY_C) 		5 LEU A 410
GLU A 191
LEU A 272
LEU A 267
GLY A 268
 None
 1.46A 1d4fA-5htpA:
undetectable		 1d4fA-5htpA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 LEU A 823
LEU A 774
LEU A 806
MET A 870
PHE A 852
 None
 1.47A 1d4fA-5okoA:
undetectable		 1d4fA-5okoA:
19.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tov ADENOSYLHOMOCYSTEINA
SE

(Thermotoga
maritima) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A 123
THR A 124
ASP A 113
LEU A 156
LEU A 150
 None
 1.17A 1d4fA-5tovA:
15.2		 1d4fA-5tovA:
40.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  53
ASP A 137
LYS A 241
ASP A 245
LEU A 404
 SAH  A 502 (-4.0A)
SAH  A 502 (-3.4A)
SAH  A 502 (-2.9A)
SAH  A 502 (-2.8A)
SAH  A 502 ( 4.7A)
 1.32A 1d4fA-5utuA:
51.6		 1d4fA-5utuA:
48.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  52
HIS A  53
THR A  55
GLU A  57
ASP A 137
LYS A 241
ASP A 245
LEU A 401
LEU A 404
GLY A 409
MET A 415
PHE A 419
 None
SAH  A 502 (-4.0A)
SAH  A 502 (-2.7A)
SAH  A 502 (-3.7A)
SAH  A 502 (-3.4A)
SAH  A 502 (-2.9A)
SAH  A 502 (-2.8A)
NAD  A 501 (-4.1A)
SAH  A 502 ( 4.7A)
SAH  A 502 ( 3.7A)
SAH  A 502 (-3.6A)
SAH  A 502 (-4.8A)
 0.33A 1d4fA-5utuA:
51.6		 1d4fA-5utuA:
48.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  59
ASP A 136
LYS A 227
ASP A 231
LEU A 389
 ADN  A 502 ( 3.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 4.7A)
 1.30A 1d4fA-5v96A:
56.0		 1d4fA-5v96A:
57.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  58
HIS A  59
THR A  61
GLU A  63
ASP A 136
LYS A 227
ASP A 231
LEU A 386
LEU A 389
GLY A 394
MET A 400
PHE A 404
 None
ADN  A 502 ( 3.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-3.6A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
NAD  A 501 (-3.9A)
ADN  A 502 ( 4.7A)
ADN  A 502 (-3.7A)
ADN  A 502 (-3.8A)
ADN  A 502 (-4.9A)
 0.30A 1d4fA-5v96A:
56.0		 1d4fA-5v96A:
57.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  54
HIS A  55
THR A  57
ASP A 131
LYS A 186
ASP A 190
PHE A 362
 None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
NAD  A 501 (-4.1A)
None
 0.71A 1d4fA-5w4bA:
42.1		 1d4fA-5w4bA:
96.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 LEU A  54
HIS A  55
THR A  57
GLU A  59
ASP A 131
LYS A 186
MET A 358
PHE A 362
 None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
9W4  A 502 (-3.8A)
None
None
9W4  A 502 (-3.6A)
None
 0.51A 1d4fA-5w4bA:
42.1		 1d4fA-5w4bA:
96.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LYS A 186
ASP A 190
LEU A 344
LEU A 347
GLY A 352
 None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.0A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
 0.97A 1d4fA-5w4bA:
42.1		 1d4fA-5w4bA:
96.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LYS A 186
LEU A 344
LEU A 347
GLY A 352
MET A 358
 None
NAD  A 501 (-4.0A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
9W4  A 502 (-3.6A)
 0.75A 1d4fA-5w4bA:
42.1		 1d4fA-5w4bA:
96.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wql TAIL-SPECIFIC
PROTEASE

(Escherichia
coli) 		no annotation 5 LEU C  85
GLU C 125
ASP C  79
LEU C 165
LEU C 162
 None
 1.24A 1d4fA-5wqlC:
undetectable		 1d4fA-5wqlC:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 5 GLU A 572
ASP A 187
LEU A 386
LEU A 245
GLY A 244
 None
 1.39A 1d4fA-5xmjA:
2.0		 1d4fA-5xmjA:
10.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xto FAD-LINKED
SULFHYDRYL OXIDASE

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF05214
(Baculo_p33) 		5 LEU A   7
GLU A 251
LEU A 258
GLY A 250
MET A 247
 None
None
None
None
FAD  A 301 ( 4.9A)
 1.30A 1d4fA-5xtoA:
undetectable		 1d4fA-5xtoA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yq5 OSTEOMODULIN

(Homo sapiens) 		no annotation 5 LEU A 193
LEU A 235
LEU A 214
MET A 182
PHE A 156
 None
 1.25A 1d4fA-5yq5A:
undetectable		 1d4fA-5yq5A:
10.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  58
ASP A 136
LYS A 191
ASP A 195
LEU A 352
 ADN  A 501 (-3.9A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 4.8A)
 1.35A 1d4fA-6aphA:
42.5		 1d4fA-6aphA:
66.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 LEU A  57
HIS A  58
THR A  60
ASP A 136
LYS A 191
ASP A 195
LEU A 349
LEU A 352
GLY A 357
MET A 363
PHE A 367
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
NAD  A 500 ( 4.3A)
ADN  A 501 ( 4.8A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.7A)
None
 0.47A 1d4fA-6aphA:
42.5		 1d4fA-6aphA:
66.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6brr DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		no annotation 5 LEU A 901
GLU A 756
LEU A 703
GLY A 706
PHE A 794
 None
 1.45A 1d4fA-6brrA:
3.5		 1d4fA-6brrA:
9.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-) 		no annotation 5 HIS B  61
ASP B 139
LYS B 194
ASP B 198
LEU B 376
 ADN  B 502 ( 4.0A)
ZN  B 505 ( 2.5A)
ADN  B 502 (-2.8A)
ADN  B 502 (-2.7A)
ADN  B 502 ( 4.8A)
 1.33A 1d4fA-6f3mB:
55.2		 1d4fA-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-) 		no annotation 10 HIS B  61
THR B  63
ASP B 139
LYS B 194
ASP B 198
LEU B 373
LEU B 376
GLY B 381
MET B 387
PHE B 391
 ADN  B 502 ( 4.0A)
ADN  B 502 (-2.8A)
ZN  B 505 ( 2.5A)
ADN  B 502 (-2.8A)
ADN  B 502 (-2.7A)
NAD  B 501 ( 3.9A)
ADN  B 502 ( 4.8A)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
 0.38A 1d4fA-6f3mB:
55.2		 1d4fA-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbn -

(-) 		no annotation 5 HIS A  56
ASP A 134
LYS A 189
ASP A 193
LEU A 350
 ADN  A 501 (-3.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 4.7A)
 1.34A 1d4fA-6gbnA:
61.6		 1d4fA-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbn -

(-) 		no annotation 11 LEU A  55
HIS A  56
THR A  58
ASP A 134
LYS A 189
ASP A 193
LEU A 347
LEU A 350
GLY A 355
MET A 361
PHE A 365
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
NAD  A 502 (-3.9A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.6A)
None
 0.34A 1d4fA-6gbnA:
61.6		 1d4fA-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gy5 -

(-) 		no annotation 5 LEU A 379
HIS A 373
THR A 404
ASP A 374
GLY A 423
 NA  A 722 ( 4.4A)
None
None
NA  A 721 ( 4.8A)
None
 1.41A 1d4fA-6gy5A:
undetectable		 1d4fA-6gy5A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ah9 INITIATION FACTOR 1

(Escherichia
coli) 		PF01176
(eIF-1a) 		4 THR A  53
GLU A  55
THR A  57
HIS A  34
 None
 1.38A 1d4fA-1ah9A:
undetectable		 1d4fA-1ah9A:
9.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c4x PROTEIN
(2-HYDROXY-6-OXO-6-P
HENYLHEXA-2,4-DIENOA
TE HYDROLASE)

(Rhodococcus
jostii) 		PF12697
(Abhydrolase_6) 		4 THR A 247
GLU A 254
HIS A 280
HIS A 252
 None
 1.37A 1d4fA-1c4xA:
5.5		 1d4fA-1c4xA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jxi PHOSPHOMETHYLPYRIMID
INE KINASE

(Salmonella
enterica) 		PF08543
(Phos_pyr_kin) 		4 THR A 205
THR A 214
HIS A 261
HIS A 209
 None
None
None
SO4  A2005 (-4.3A)
 1.42A 1d4fA-1jxiA:
5.6		 1d4fA-1jxiA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n8p CYSTATHIONINE
GAMMA-LYASE

(Saccharomyces
cerevisiae) 		PF01053
(Cys_Met_Meta_PP) 		4 THR A 106
GLU A 145
THR A 148
HIS A 350
 None
PLP  A 400 ( 4.7A)
None
None
 1.03A 1d4fA-1n8pA:
undetectable		 1d4fA-1n8pA:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qaf PROTEIN (COPPER
AMINE OXIDASE)

(Escherichia
coli) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3)
PF07833
(Cu_amine_oxidN1) 		4 THR A 687
GLU A 702
THR A 701
HIS A 705
 None
 1.14A 1d4fA-1qafA:
undetectable		 1d4fA-1qafA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tf1 NEGATIVE REGULATOR
OF ALLANTOIN AND
GLYOXYLATE
UTILIZATION OPERONS

(Escherichia
coli) 		PF01614
(IclR) 		4 THR A 120
GLU A 125
THR A 100
HIS A  67
 None
 1.34A 1d4fA-1tf1A:
undetectable		 1d4fA-1tf1A:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wyt GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus) 		PF02347
(GDC-P) 		4 THR B 403
GLU B 417
THR B 419
HIS B 272
 None
 1.32A 1d4fA-1wytB:
undetectable		 1d4fA-1wytB:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d7s RNA-DEPENDENT RNA
POLYMERASE

(Foot-and-mouth
disease virus) 		PF00680
(RdRP_1) 		4 THR A 303
THR A 281
HIS A 283
HIS A 188
 None
 1.47A 1d4fA-2d7sA:
undetectable		 1d4fA-2d7sA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nsg HYPOTHETICAL PROTEIN
CGL3021

(Corynebacterium
glutamicum) 		PF11716
(MDMPI_N) 		4 THR A 137
THR A  73
HIS A  65
HIS A 122
 None
 1.36A 1d4fA-2nsgA:
undetectable		 1d4fA-2nsgA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p4z METAL-DEPENDENT
HYDROLASES OF THE
BETA-LACTAMASE
SUPERFAMILY II

(Caldanaerobacter
subterraneus) 		PF00753
(Lactamase_B) 		4 THR A 161
GLU A 181
THR A  75
HIS A  81
 None
None
None
FE  A1002 (-3.4A)
 1.40A 1d4fA-2p4zA:
undetectable		 1d4fA-2p4zA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z00 DIHYDROOROTASE

(Thermus
thermophilus) 		PF01979
(Amidohydro_1) 		4 GLU A 256
THR A 258
HIS A 261
HIS A  57
 None
None
None
ZN  A1004 (-3.4A)
 1.40A 1d4fA-2z00A:
undetectable		 1d4fA-2z00A:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zu6 EUKARYOTIC
INITIATION FACTOR
4A-I
PROGRAMMED CELL
DEATH PROTEIN 4

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02847
(MA3) 		4 THR B 169
GLU A 111
THR A 109
HIS B 215
 None
 1.34A 1d4fA-2zu6B:
undetectable		 1d4fA-2zu6B:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3axx 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE

(Pyrococcus
horikoshii) 		PF00150
(Cellulase) 		4 THR A 160
GLU A 163
HIS A 203
HIS A 155
 None
 1.28A 1d4fA-3axxA:
undetectable		 1d4fA-3axxA:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bql ERYTHROCYTE MEMBRANE
PROTEIN 1

(Plasmodium
falciparum) 		PF03011
(PFEMP)
PF05424
(Duffy_binding) 		4 THR A1269
GLU A1307
THR A1308
HIS A1315
 None
 1.42A 1d4fA-3bqlA:
undetectable		 1d4fA-3bqlA:
21.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A  74
GLU A 218
THR A 219
HIS A 363
HIS A 416
 ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 3.6A)
 0.76A 1d4fA-3ce6A:
54.9		 1d4fA-3ce6A:
54.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ef8 PUTATIVE SCYALONE
DEHYDRATASE

(Novosphingobium
aromaticivorans) 		PF13577
(SnoaL_4) 		4 THR A  58
THR A  69
HIS A  71
HIS A 138
 None
 1.49A 1d4fA-3ef8A:
undetectable		 1d4fA-3ef8A:
16.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A  57
GLU A 155
THR A 156
HIS A 300
HIS A 352
 ADN  A 438 (-4.6A)
ADN  A 438 (-3.8A)
NAD  A 439 ( 3.0A)
ADN  A 438 ( 4.0A)
ADN  A 438 ( 3.6A)
 0.64A 1d4fA-3g1uA:
59.7		 1d4fA-3g1uA:
71.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A  67
GLU A 199
THR A 200
HIS A 344
HIS A 394
 RAB  A 602 (-4.5A)
RAB  A 602 (-4.6A)
NAD  A 601 ( 2.9A)
RAB  A 602 ( 3.5A)
NAD  A 601 ( 3.6A)
 0.62A 1d4fA-3glqA:
57.2		 1d4fA-3glqA:
56.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A  57
GLU A 155
THR A 156
HIS A 300
HIS A 352
 ADN  A 439 (-4.7A)
None
NAD  A 438 (-3.8A)
None
ADN  A 439 ( 3.3A)
 0.69A 1d4fA-3h9uA:
61.4		 1d4fA-3h9uA:
71.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iuu PUTATIVE
METALLOPEPTIDASE

(Chelativorans
sp. BNC1) 		PF07171
(MlrC_C)
PF07364
(DUF1485) 		4 THR A 453
GLU A 202
THR A 160
HIS A 140
 None
None
None
ZN  A 495 ( 3.1A)
 1.46A 1d4fA-3iuuA:
undetectable		 1d4fA-3iuuA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jz4 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
[NADP+]

(Escherichia
coli) 		PF00171
(Aldedh) 		4 THR A 234
GLU A 385
THR A 386
HIS A 342
 None
NAP  A 482 (-3.5A)
None
None
 1.16A 1d4fA-3jz4A:
2.1		 1d4fA-3jz4A:
22.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A  60
GLU A 192
THR A 193
HIS A 337
HIS A 387
 ADN  A 500 (-4.6A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.4A)
 0.58A 1d4fA-3n58A:
56.9		 1d4fA-3n58A:
58.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A  67
GLU A 205
THR A 206
HIS A 350
HIS A 404
 ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
None
ADE  A 506 (-3.4A)
 0.58A 1d4fA-3oneA:
53.8		 1d4fA-3oneA:
57.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3szb ALDEHYDE
DEHYDROGENASE

(Homo sapiens) 		PF00171
(Aldedh) 		4 THR A 420
GLU A 209
THR A 186
HIS A 413
 None
 1.47A 1d4fA-3szbA:
4.2		 1d4fA-3szbA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ubu AGGLUCETIN SUBUNIT
ALPHA-1
AGGLUCETIN SUBUNIT
BETA-2

(Deinagkistrodon
acutus) 		PF00059
(Lectin_C) 		4 GLU A  82
THR A  84
HIS B  40
HIS B  45
 None
None
None
GOL  B 128 (-4.0A)
 1.39A 1d4fA-3ubuA:
undetectable		 1d4fA-3ubuA:
15.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w6m 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE

(Pyrococcus
horikoshii) 		PF00150
(Cellulase) 		4 THR A 160
GLU A 163
HIS A 203
HIS A 155
 None
 1.24A 1d4fA-3w6mA:
undetectable		 1d4fA-3w6mA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b90 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 GLU A 270
THR A 272
HIS A 275
HIS A  68
 None
 1.39A 1d4fA-4b90A:
undetectable		 1d4fA-4b90A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b92 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 GLU A 270
THR A 272
HIS A 275
HIS A  68
 None
 1.41A 1d4fA-4b92A:
undetectable		 1d4fA-4b92A:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4by2 ANASTRAL SPINDLE 2,
SAS 4

(Drosophila
melanogaster) 		PF07202
(Tcp10_C) 		4 GLU A 136
THR A 142
HIS A 144
HIS A 125
 None
 1.49A 1d4fA-4by2A:
undetectable		 1d4fA-4by2A:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c8d LYSINE-SPECIFIC
DEMETHYLASE 3B

(Homo sapiens) 		PF02373
(JmjC) 		4 THR A1657
GLU A1592
THR A1589
HIS A1615
 None
 1.44A 1d4fA-4c8dA:
undetectable		 1d4fA-4c8dA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dx8 KREV INTERACTION
TRAPPED PROTEIN 1

(Homo sapiens) 		PF16705
(NUDIX_5) 		4 THR H 153
GLU H  55
THR H  56
HIS H  38
 None
 1.20A 1d4fA-4dx8H:
undetectable		 1d4fA-4dx8H:
17.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hpp PROBABLE GLUTAMINE
SYNTHETASE

(Pseudomonas
aeruginosa) 		PF00120
(Gln-synt_C)
PF16952
(Gln-synt_N_2) 		4 GLU A 423
THR A  49
HIS A 422
HIS A 438
 None
 1.37A 1d4fA-4hppA:
undetectable		 1d4fA-4hppA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		4 THR A 867
GLU A 879
THR A 881
HIS A 732
 CME  A 974 ( 3.9A)
None
None
None
 1.31A 1d4fA-4lglA:
undetectable		 1d4fA-4lglA:
19.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A  63
GLU A 197
THR A 198
HIS A 342
HIS A 392
 ADN  A 501 (-4.5A)
ADN  A 501 (-3.6A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
ADN  A 501 (-3.5A)
 0.55A 1d4fA-4lvcA:
56.8		 1d4fA-4lvcA:
58.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nx8 PROTEIN-TYROSINE
PHOSPHATASE 2

(Bdellovibrio
bacteriovorus) 		PF14566
(PTPlike_phytase) 		4 THR A 174
GLU A 103
THR A 114
HIS A 205
 None
 1.40A 1d4fA-4nx8A:
undetectable		 1d4fA-4nx8A:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q3l MGS-M2

(unidentified) 		PF00561
(Abhydrolase_1) 		4 THR A 194
THR A 224
HIS A 249
HIS A 200
 None
 1.40A 1d4fA-4q3lA:
5.7		 1d4fA-4q3lA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qgk FATTY ALDEHYDE
DEHYDROGENASE

(Homo sapiens) 		PF00171
(Aldedh) 		4 THR A 418
GLU A 207
THR A 184
HIS A 411
 None
 1.48A 1d4fA-4qgkA:
3.9		 1d4fA-4qgkA:
23.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4whb PHENYLUREA HYDROLASE
B

(Mycolicibacterium
brisbanense) 		no annotation 4 THR E 230
THR E 142
HIS E 114
HIS E 180
 None
 1.41A 1d4fA-4whbE:
undetectable		 1d4fA-4whbE:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xd9 RIBOSOME BIOGENESIS
PROTEIN, PUTATIVE
(AFU_ORTHOLOGUE
AFUA_8G04790)

(Aspergillus
nidulans) 		PF04427
(Brix) 		4 THR A 197
GLU A 195
HIS A 205
HIS A 161
 None
 1.21A 1d4fA-4xd9A:
undetectable		 1d4fA-4xd9A:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xy3 ESX-1
SECRETION-ASSOCIATED
PROTEIN ESPB

(Mycobacterium
tuberculosis) 		no annotation 4 THR A  40
GLU A  38
THR A 142
HIS A 216
 None
 1.43A 1d4fA-4xy3A:
undetectable		 1d4fA-4xy3A:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 THR A1066
THR A1044
HIS A 579
HIS A1062
 None
 1.03A 1d4fA-4yswA:
undetectable		 1d4fA-4yswA:
15.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5by8 RPF2

(Aspergillus
nidulans) 		PF04427
(Brix) 		4 THR A 197
GLU A 195
HIS A 205
HIS A 161
 None
 1.28A 1d4fA-5by8A:
undetectable		 1d4fA-5by8A:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dgg UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 4 THR A 281
GLU A 299
THR A 300
HIS A 261
 None
 1.07A 1d4fA-5dggA:
undetectable		 1d4fA-5dggA:
17.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eio N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE/N-ACET
YL-GAMMA-AMINOADIPYL
-PHOSPHATE REDUCTASE

(Thermus
thermophilus) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 THR A 151
GLU A 212
HIS A  77
HIS A 207
 None
None
NAP  A 401 (-3.2A)
None
 1.48A 1d4fA-5eioA:
3.6		 1d4fA-5eioA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k8d COAGULATION FACTOR
VIII

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		4 GLU A 187
THR A 191
HIS A 193
HIS A 256
 None
 1.40A 1d4fA-5k8dA:
undetectable		 1d4fA-5k8dA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lun 2-OXOGLUTARATE-DEPEN
DENT
ETHYLENE/SUCCINATE-F
ORMING ENZYME

(Pseudomonas
savastanoi) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		4 THR A  97
GLU A  84
THR A  86
HIS A 189
 None
ARG  A 403 (-3.5A)
ARG  A 403 (-3.4A)
FE  A 401 (-3.3A)
 1.44A 1d4fA-5lunA:
undetectable		 1d4fA-5lunA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ngk GLUCOSYLCERAMIDASE

(Bacteroides
thetaiotaomicron) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 THR A  89
GLU A 339
THR A 340
HIS A 415
 None
 1.31A 1d4fA-5ngkA:
undetectable		 1d4fA-5ngkA:
21.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 THR A  58
GLU A 211
THR A 212
HIS A 410
 SAH  A 502 (-4.2A)
SAH  A 502 (-3.8A)
NAD  A 501 ( 4.1A)
SAH  A 502 ( 3.5A)
 0.72A 1d4fA-5utuA:
51.6		 1d4fA-5utuA:
48.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 THR A  64
GLU A 197
THR A 198
HIS A 395
 ADN  A 502 (-4.4A)
ADN  A 502 (-3.5A)
NAD  A 501 ( 2.9A)
ADN  A 502 ( 3.4A)
 0.55A 1d4fA-5v96A:
56.0		 1d4fA-5v96A:
57.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wt4 CYSTEINE DESULFURASE
ISCS

(Helicobacter
pylori) 		no annotation 4 GLU A  43
THR A  44
HIS A  45
HIS A  38
 None
 1.37A 1d4fA-5wt4A:
2.3		 1d4fA-5wt4A:
11.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ams BETA SLIDING CLAMP

(Pseudomonas
aeruginosa) 		no annotation 4 THR A 232
GLU A  52
THR A 118
HIS A 223
 None
None
None
PO4  A 401 (-4.4A)
 1.16A 1d4fA-6amsA:
undetectable		 1d4fA-6amsA:
22.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A  63
GLU A 161
THR A 162
HIS A 306
HIS A 358
 ADN  A 501 (-4.5A)
ADN  A 501 (-2.5A)
NAD  A 500 ( 2.9A)
ADN  A 501 ( 3.7A)
ADN  A 501 ( 3.5A)
 0.79A 1d4fA-6aphA:
61.5		 1d4fA-6aphA:
66.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-) 		no annotation 5 THR B  66
GLU B 164
THR B 165
HIS B 323
HIS B 382
 ADN  B 502 (-4.6A)
ADN  B 502 (-3.6A)
NAD  B 501 ( 2.8A)
ZN  B 505 (-3.2A)
ADN  B 502 (-3.4A)
 0.54A 1d4fA-6f3mB:
55.2		 1d4fA-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbn -

(-) 		no annotation 5 THR A  61
GLU A 159
THR A 160
HIS A 304
HIS A 356
 ADN  A 501 (-4.6A)
ADN  A 501 (-3.9A)
NAD  A 502 ( 2.8A)
ADN  A 501 ( 3.6A)
ADN  A 501 (-3.4A)
 0.56A 1d4fA-6gbnA:
61.6		 1d4fA-6gbnA:
undetectable